1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine

C12H26ClN — CID 106167492

IUPAC1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine
SMILESCCC(C)(CCCl)NCCCC(C)C
InChIInChI=1S/C12H26ClN/c1-5-12(4,8-9-13)14-10-6-7-11(2)3/h11,14H,5-10H2,1-4H3
InChIKeyPRPQWDHOGCKNJO-UHFFFAOYSA-N
MW219.80 g/mol
LogP3.81
Rot. Bonds8

About 1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine

1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine (PubChem CID 106167492) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is 1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine.

Molecular Properties

Compound Name1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine
PubChem CID106167492
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC Name1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine
SMILESCCC(C)(CCCl)NCCCC(C)C
InChIInChI=1S/C12H26ClN/c1-5-12(4,8-9-13)14-10-6-7-11(2)3/h11,14H,5-10H2,1-4H3
InChIKeyPRPQWDHOGCKNJO-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
1-chloro-3-methyl-N-[2-(3-methylbutoxy)ethyl]pentan-3-amine
CID 106167328
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964
1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine
CID 106354031
1-chloro-3-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-3-amine
CID 106167264
3-(3-hydroxybutylamino)-3-methylpentan-1-ol
CID 106175110
2,6-dimethyl-6-(sulfinoamino)octane
CID 57421750
4-(3-methylpentan-3-ylamino)butanenitrile
CID 103746698
4-ethyl-1-N-(3-methylpentan-3-yl)hexane-1,4-diamine
CID 91395306
1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
CID 62426971
1-chloro-2-methyl-N-propylbutan-2-amine
CID 65024728
2-methyl-N-(3-methylbutyl)butan-2-amine
CID 27708809

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine?
The IUPAC name of 1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine (CID 106167492) is 1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine.
What is the SMILES notation for 1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine?
The canonical SMILES for 1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine is CCC(C)(CCCl)NCCCC(C)C.
What is the InChIKey of 1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine?
The InChIKey is PRPQWDHOGCKNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClN/c1-5-12(4,8-9-13)14-10-6-7-11(2)3/h11,14H,5-10H2,1-4H3.
What are the key properties of 1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine?
1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine has a molecular weight of 219.80 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine is sourced from PubChem (CID 106167492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).